ChemSpider 2D Image | Methyl 5-(6-amino-3-pyridinyl)-2-fluorobenzoate | C13H11FN2O2

Methyl 5-(6-amino-3-pyridinyl)-2-fluorobenzoate

  • Molecular FormulaC13H11FN2O2
  • Average mass246.237 Da
  • Monoisotopic mass246.080460 Da
  • ChemSpider ID28295305

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1314988-17-4 [RN]
5-(6-Amino-3-pyridinyl)-2-fluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-(6-amino-3-pyridinyl)-2-fluoro-, methyl ester [ACD/Index Name]
Methyl 5-(6-amino-3-pyridinyl)-2-fluorobenzoate [ACD/IUPAC Name]
Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate
Methyl-5-(6-amino-3-pyridinyl)-2-fluorbenzoat [German] [ACD/IUPAC Name]
[1314988-17-4] [RN]
METHYL-5-(6-AMINOPYRIDIN-3-YL)-2-FLUOROBENZOATE
MFCD19684172 [MDL number]
YB-4315

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 414.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 204.3±28.7 °C
    Index of Refraction: 1.590
    Molar Refractivity: 64.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): 1.52
    ACD/BCF (pH 5.5): 6.07
    ACD/KOC (pH 5.5): 85.91
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 22.86
    ACD/KOC (pH 7.4): 323.58
    Polar Surface Area: 65 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 192.3±3.0 cm3

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